diff --git a/docs/inputting.md b/docs/inputting.md index b3cbafc9..18872d4f 100644 --- a/docs/inputting.md +++ b/docs/inputting.md @@ -483,5 +483,6 @@ a separate table, like this: ids = ["M1", "M2", "M3"] mean_vector = [1, 2, 3] covariance_matrix = [[1, 2, 3], [1, 2, 1], [3, 2, 1]] -fixed_values = {"M1" = -1} +[dgf.fixed_values] +M1 = -1 ``` diff --git a/maud/data/example_inputs/methionine/priors.toml b/maud/data/example_inputs/methionine/priors.toml index b484625e..049b61ee 100644 --- a/maud/data/example_inputs/methionine/priors.toml +++ b/maud/data/example_inputs/methionine/priors.toml @@ -412,7 +412,6 @@ ids = [ "ser-L", "thf", ] - mean_vector = [ 221.0286719, 375.7661689, @@ -455,3 +454,19 @@ covariance_matrix = [ [0.082812953,0.267260869,0.00569163,0.0,-0.169982816,0.0,0.0,0.75055995,0.0,-0.00569163,0.13699083,0.082812953,-0.102063789,-0.086507088,0.066108523,-0.121107184,0.0,1.302666887,-0.01337413], [457879.2948,0.002198031,2.645143404,38.09225442,-0.10108062,0.610913519,31.36896392,0.413306346,62.75997749,2.977321173,0.772821844,457881.5372,20.34229995,20.6177254,0.266424499,0.196235377,1.004228134,-0.01337413,457882.6649], ] +[dgf.fixed_values] +5mthf = 221.0286719 +adn = 375.7661689 +atp = -2263.627453 +cyst-L = -46.63513539 +dmgly = 58.06358491 +glyb = 160.8518051 +hcys-L = 49.52084426 +met-L = 161.020387 +mlthf = 195.3212701 +nadp = -2016.505249 +nadph = -1950.323894 +pi = -1055.471107 +ppi = -1943.542247 +ser-L = -216.3988763 +thf = 106.298236